rel-(6R,7aS)-N-[2-(4-chlorophenyl)ethyl]-1-oxo-2-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide

Chemical Structure Depiction of
rel-(6R,7aS)-N-[2-(4-chlorophenyl)ethyl]-1-oxo-2-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Available: 1 mg
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mg
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Compound characteristics

Compound ID: C123-0149
Compound Name: rel-(6R,7aS)-N-[2-(4-chlorophenyl)ethyl]-1-oxo-2-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Molecular Weight: 428.94
Molecular Formula: C22 H21 Cl N2 O3 S
Smiles: C(CNC(C1[C@@H]2C(N(Cc3cccs3)C[C@]23C=C[C@H]1O3)=O)=O)c1ccc(cc1)[Cl]
Stereo: MIXTURE OF STEREOISOMERS
logP: 2.8682
logD: 2.8682
logSw: -3.6757
Hydrogen bond acceptors count: 5
Hydrogen bond donors count: 1
Polar surface area: 49.821
InChI Key: ABBLXNGHYPDSHT-CGUCDKRXSA-N
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